Mrv1902 02241904102D          

 11 10  0  0  0  0            999 V2000
    0.9818    0.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9818   -0.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3984    0.0000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    0.0286    1.3803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -0.3699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818    0.3698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285   -1.3803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1849   -0.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.3803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1849    0.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818    0.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
 10  6  1  0  0  0  0
 10  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00515

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2

> <INCHI_KEY>
LXZZYRPGZAFOLE-UHFFFAOYSA-L

> <FORMULA>
Cl2H6N2Pt

> <MOLECULAR_WEIGHT>
300.05

> <EXACT_MASS>
298.955596

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.945512558699935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloroplatinumdiamine

> <ALOGPS_LOGP>
-0.04

> <ALOGPS_LOGS>
-0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
55.28

> <JCHEM_REFRACTIVITY>
43.302400000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.96e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diamminedichloroplatinum

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00515

> <SECONDARY_ACCESSION_NUMBERS>
APRD00359

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Cisplatin

> <SYNONYMS>
(SP-4-2)-DIAMMINEDICHLOROPLATINUM; CDDP; Cis-DDP; CIS-DIAMMINEDICHLOROPLATINUM; CIS-DIAMMINEDICHLOROPLATINUM II; cis-diamminedichloroplatinum(II); Cisplatin; cisplatino; INT-230-6 COMPONENT CISPLATIN; INT230-6 COMPONENT CISPLATIN; PLATINUM, DIAMMINEDICHLORO-, (SP-4-2)-

> <PRODUCTS>
CISplatin; Cisplatin; Cisplatin Inj 0.5mg/ml; Cisplatin Inj 1mg/ml; Cisplatin Injection; Cisplatin Injection BP; Cisplatin Injection, BP; Cisplatin Injection, Mylan Std.; PMS-cisplatin; Platinol; Platinol AQ Inj 1mg/ml; Platinol-AQ

> <INTERNATIONAL_BRANDS>
Abiplatin; Cisplatyl; Platidiam; Platin

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